2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide

C16H22N4O3 — CID 119342802

IUPAC2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1nc(-c2ccccc2OC)no1
InChIInChI=1S/C16H22N4O3/c1-4-7-12(17)15(21)18-10(2)16-19-14(20-23-16)11-8-5-6-9-13(11)22-3/h5-6,8-10,12H,4,7,17H2,1-3H3,(H,18,21)
InChIKeyOLTNRKHGDSSSST-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.05
Rot. Bonds7

About 2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide

2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide (PubChem CID 119342802) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
PubChem CID119342802
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C)c1nc(-c2ccccc2OC)no1
InChIInChI=1S/C16H22N4O3/c1-4-7-12(17)15(21)18-10(2)16-19-14(20-23-16)11-8-5-6-9-13(11)22-3/h5-6,8-10,12H,4,7,17H2,1-3H3,(H,18,21)
InChIKeyOLTNRKHGDSSSST-UHFFFAOYSA-N
XLogP2.05
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide?
The IUPAC name of 2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide (CID 119342802) is 2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide is CCCC(N)C(=O)NC(C)c1nc(-c2ccccc2OC)no1.
What is the InChIKey of 2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide?
The InChIKey is OLTNRKHGDSSSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-7-12(17)15(21)18-10(2)16-19-14(20-23-16)11-8-5-6-9-13(11)22-3/h5-6,8-10,12H,4,7,17H2,1-3H3,(H,18,21).
What are the key properties of 2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide?
2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide has a molecular weight of 318.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide is sourced from PubChem (CID 119342802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).